Electronic Structure of Disordered Alloys
作者： R. Prasad
DOI: 10.1007/978-3-642-80478-6_6
关键词: Electronic structure 、 Theoretical physics 、 Korringa–Kohn–Rostoker approximation 、 Local-density approximation 、 Chemistry 、 Coherent potential approximation 、 Invariant (physics) 、 Electronic band structure 、 Condensed matter physics 、 Density of states 、 Fermi surface
摘要: The last decade has seen a rapid progress in understanding the electronic structure of disordered alloys and this article I shall review made by using Kohn-Korringa-Rostoker (KKR) based approaches. KKR approach conjuction with coherent-potential approximation (CPA) emerged as powerful tool to study alloys. This method called, KKR- CPA, combined local density (LDA) provides first-principles, parameter-free mean-field theory for treating alloy. Insofar average properties are concerned, KKR-CPA replaces system suitably chosen translationally invariant effective medium, which is determined self-consistently. To illustrate some its applications present recent results Li-Mg Nb-Mo Also our attempts go beyond include short-range order will be briefly discussed.
springer.com
sci-hub.st 参考文章(55)
Electronic Band Structure and Its Applications Electronic Band Structure and Its Applications. ,vol. 283, ,(1987) , 10.1007/3-540-18098-2
B. L. Gyorffy, A Theory of the Electron-Phonon Interaction and the Superconducting Transition Temperature, Tc, in Strongly Scattering Systems Superconductivity in d- and f-Band Metals. pp. 29- 57 ,(1976) , 10.1007/978-1-4615-8795-8_4
J.E. Inglesfield, The electronic structure of surfaces with the matching green function method: I. General formalism Surface Science. ,vol. 76, pp. 355- 378 ,(1978) , 10.1016/0039-6028(78)90103-6
J. S. Faulkner, G. M. Stocks, Calculating properties with the coherent-potential approximation Physical Review B. ,vol. 21, pp. 3222- 3244 ,(1980) , 10.1103/PHYSREVB.21.3222
R Prasad, A Y Serageldin, A Bansil, Shockley-type surface states on low-index faces of Cu-based alloys with polyvalent solutes Journal of Physics: Condensed Matter. ,vol. 3, pp. 801- 812 ,(1991) , 10.1088/0953-8984/3/7/005
B. L. Gyorffy, G. M. Stocks, Concentration waves and Fermi surfaces in random metallic alloys Physical Review Letters. ,vol. 50, pp. 374- 377 ,(1983) , 10.1103/PHYSREVLETT.50.374
Paul Soven, Application of the Coherent Potential Approximation to a System of Muffin-Tin Potentials Physical Review B. ,vol. 2, pp. 4715- 4722 ,(1970) , 10.1103/PHYSREVB.2.4715
S. S. A. Razee, S. S. Rajput, R. Prasad, A. Mookerjee, Electronic structure of disordered alloys: Korringa-Kohn-Rostoker cluster coherent-potential approximation. Physical Review B. ,vol. 42, pp. 9391- 9402 ,(1990) , 10.1103/PHYSREVB.42.9391
R. Zeller, J. Deutz, P.H. Dederichs, Application of complex energy integration to selfconsistent electronic structure calculations Solid State Communications. ,vol. 44, pp. 993- 997 ,(1982) , 10.1016/0038-1098(82)90320-9
Abhijit Mookerjee, Rajendra Prasad, Generalized augmented-space theorem for correlated disorder and the cluster-coherent-potential approximation. Physical Review B. ,vol. 48, pp. 17724- 17731 ,(1993) , 10.1103/PHYSREVB.48.17724